SCHEMBL10922201

SCHEMBL10922201

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc(OCC(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.41
CFTR P13569 1/20 0.40
THRB P10828 1/20 0.40
ALKBH2 Q6NS38 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
FTO Q9C0B1 1/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11639176 0.89 THRB (0.48) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL9064624 0.88 MAPT (0.44) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL11149394 0.86 THRB (0.45) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL7563484 0.84 MAPT (0.42) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL11635655 0.84 THRB (0.45) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL7570836 0.84 MAPT (0.42) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL9037391 0.83 MAPT (0.54) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL10755571 0.83 POLB (0.44) MAPTALDH1A1THRBALKBH2ALKBH5
SCHEMBL10744629 0.82 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL10455416 0.82 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009419-B1 AGRICULTURAL SULFONAMIDES, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-02 EP claimed
US-4496754-A Silyl carbamates and synthesis thereof UNION CARBIDE CORPORATION (US) 1985-01-29 US claimed
EP-0009419-A1 Agricultural sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-02 EP claimed
EP-0009419-B1 AGRICULTURAL SULFONAMIDES, AND PREPARATION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-02 EP disclosed
EP-0009419-A1 Agricultural sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-02 EP disclosed